3-(2-噻吩基)-D,L-丙氨酸甲酯盐酸盐 | 98593-56-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-(2-噻吩基)-D,L-丙氨酸甲酯盐酸盐
• 英文名称: 3-(2-thienyl)-D,L-alanine methyl ester hydrochloride
• 英文别名: (+/-)-2-amino-3-[2]thienyl-propionic acid methyl ester; hydrochloride；(+/-)-2-Amino-3-[2]thienyl-propionsaeure-methylester; Hydrochlorid；Methyl 2-amino-3-(thiophen-2-yl)propanoate hydrochloride；methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride
• CAS: 98593-56-7
• 化学式: C₈H₁₁NO₂S*ClH
• 分子量: 221.708
• InChiKey: JOTSVOSIVDVLQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2-噻吩基)-D,L-丙氨酸甲酯盐酸盐 在 lithium aluminium tetrahydride 、 氨 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 120.0h， 生成 3-噻吩-2-基-丙烷-1,2-二胺
  参考文献：
  名称：

  Brunner; Kroiss; Schmidt, European Journal of Medicinal Chemistry, 1986, vol. 21, # 4, p. 333 - 338

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(2-噻吩基)-DL-丙氨酸 生成 3-(2-噻吩基)-D,L-丙氨酸甲酯盐酸盐
  参考文献：
  名称：

  Dunn, Journal of Biological Chemistry, 1957, vol. 227, p. 575,576

  摘要：

  DOI：

文献信息

• Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4
  申请人：Athena Neurosciences, Inc.

  公开号：US06362341B1

  公开（公告）日：2002-03-26

  Disclosed are compounds which bind VLA-4. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, wherein the disease may be, for example, asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  揭示了结合VLA-4的化合物。其中某些化合物还抑制白细胞粘附，特别是通过VLA-4介导的白细胞粘附。这些化合物在治疗哺乳动物患者（例如人类）的炎症性疾病中很有用，例如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物还可用于治疗多发性硬化等炎症性脑部疾病。
• New renin-inhibitory peptides and their use
  申请人：Sankyo Company, Limited

  公开号：US04698329A1

  公开（公告）日：1987-10-06

  Compounds of formula R.sup.1 CO--NH--CH(R.sup.2)--CONH--CH(R.sup.3)--X [wherein: R.sup.1 represents alkyl having an .alpha.-amino or protected .alpha.-amino substituent and an aryl, heterocyclic or heterocyclic-dithio substituent; R.sup.2 represents a variety of aliphatic and cycloaliphatic hydrocarbon groups, which may be substituted; R.sup.3 represents isobutyl, sec-butyl, benzyl or (C.sub.3 -C.sub.8 cycloalkyl)methyl; and X represents a group of formula --CH(--A--R.sup.4)--Y (in which: A represents a single bond or an alkylene group; R.sup.4 represents a carboxy group; a protected carboxy group, a carbamoyl group, an N-substituted carbamoyl group, a carbazoyl group, an N-substituted carbazoyl group or an acyl group; and Y represents a hydroxy group, a mercapto group or a formyl group), or a group of formula --P(O) (R.sup.5)--OH (in which R.sup.5 represents a substituted alkyl group having at least one substituent selected from carboxy groups, protected carboxy groups, N-substituted carbamoyl groups, carbazoyl groups, N-substituted carbazoyl groups, C.sub.2 -C.sub.7 aliphatic carboxylic acyl groups and aromatic carboxylic acyl groups)]; and their salts are renin inhibitors, which may be used in the treatment of angiotensin-induced hypertension.

  化合物的化学式为R.sup.1 CO--NH--CH(R.sup.2)--CONH--CH(R.sup.3)--X [其中：R.sup.1代表具有.alpha.-氨基或受保护的.alpha.-氨基取代基和芳基，杂环或杂环-二硫取代基的烷基；R.sup.2代表多种脂肪族和环状脂肪族碳氢基团，可以被取代；R.sup.3代表异丁基，仲丁基，苄基或（C.sub.3-C.sub.8 环状烷基）甲基；X代表式--CH(--A--R.sup.4)--Y的基团（其中：A代表单键或烷基链；R.sup.4代表羧基，受保护的羧基，氨基甲酰基，N-取代的氨基甲酰基，氨基苯甲酰基，N-取代的氨基苯甲酰基或酰基；Y代表羟基，巯基或甲酰基），或式--P(O)(R.sup.5)--OH的基团（其中R.sup.5代表具有至少一个取代基的取代烷基，所述取代基从羧基，受保护的羧基，N-取代的氨基甲酰基，氨基苯甲酰基，N-取代的氨基苯甲酰基，C.sub.2-C.sub.7脂肪族羧酸酰基和芳香族羧酸酰基中选择）]；它们的盐是肾素抑制剂，可用于治疗肾素诱导的高血压。
• Compounds for the treatment of inflammatory disorders
  申请人：Siddiqui Arshad M.

  公开号：US20060178366A1

  公开（公告）日：2006-08-10

  This invention relates to compounds of the Formula (I): or a pharmaceutically acceptable salt, solvate or isomer thereof, which can be useful for the treatment of diseases or conditions mediated by MMPs, aggrecanase, ADMP, LpxC, ADAMs, TACE, TNF-α or combinations thereof.

  本发明涉及式（I）的化合物：或其药学上可接受的盐、溶剂或异构体，可用于治疗由MMPs、aggrecanase、ADMP、LpxC、ADAMs、TACE、TNF-α或其组合介导的疾病或病况。
• Compounds for the treatment of inflammatory disorders and microbial diseases
  申请人：Siddiqui Arshad M.

  公开号：US20070167426A1

  公开（公告）日：2007-07-19

  This invention relates to compounds of the Formula (I): or a pharmaceutically acceptable salt, solvate or isomer thereof, which can be useful for the treatment of diseases or conditions mediated by MMPs, aggrecanase, ADMP, LpxC, ADAMs, TACE, TNF-α or combinations thereof.

  本发明涉及式(I)的化合物：或其药学上可接受的盐、溶剂或异构体，可用于治疗由MMPs、aggrecanase、ADMP、LpxC、ADAMs、TACE、TNF-α或其组合介导的疾病或病况。
• COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS
  申请人：Guo Zhuyan

  公开号：US20100145048A1

  公开（公告）日：2010-06-10

  This invention relates to compounds of the Formula (I): or a pharmaceutically acceptable salt, solvate or isomer thereof, which can be useful for the treatment of diseases or conditions mediated by MMPs, ADAMs, TACE, TNF-α or combinations thereof.

  本发明涉及公式(I)的化合物：或其药学上可接受的盐、溶剂化合物或异构体，可用于治疗由MMPs、ADAMs、TACE、TNF-α或其组合介导的疾病或病症。